SCHEMBL10474372

SCHEMBL10474372

O=C(O)c1cnc2ccc(C(F)(F)F)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.57
MGLL Q99685 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
SRD5A2 P31213 2/20 0.45
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
PTPN1 P18031 1/20 0.43
MAP4K4 O95819 1/20 0.43
MAOB P27338 1/20 0.43
SLC6A2 P23975 1/20 0.43
P2RY14 Q15391 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.41
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22376 0.88 MGAM (0.57) MGAMEGLN1SRD5A2PIM1PIM2
SCHEMBL18372036 0.88 SMN1; SMN2 (0.49) MGAMEGLN1SRD5A2PTPN1MAP4K4
SCHEMBL7449066 0.86 KMT2A (0.47) MGAMMGLLMAOBKDM4EBACE1
SCHEMBL28072259 0.85 MGAM (0.48) MGAMSRD5A2
SCHEMBL1644022 0.84 MGAM (0.57) MGAMSRD5A2RXRARXRBRXRG
SCHEMBL10465639 0.81 MGAM (0.70) MGAMSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL845818 0.79 MGAM (0.62) MGAMEGLN1MAP4K4KDM4EALDH1A1
SCHEMBL29365612 0.78 MGAM (0.53) MGAMEGLN1PIM1SMN1; SMN2ALDH1A1
SCHEMBL28708729 0.78 MGAM (0.53) MGAMEGLN1PIM1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6085748 0.78 MGAM (0.60) MGAMEGLN1MAP4K4KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US disclosed
EP-3694840-B1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
US-4910327-A Reacting a corresponding aromatic primary amine with a ketoester AMERICAN CYANAMID COMPANY (US) 1990-03-20 US disclosed
US-4843162-A INTERMEDIATES FOR HERBICIDES AMERICAN CYANAMID COMPANY (US) 1989-06-27 US disclosed
US-4656283-A HERBICIDAL INTERMEDIATES AMERICAN CYANAMID COMPANY (US) 1987-04-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG MGAM 2439/4885MGLL 10/4885EGLN1 2399/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG MGAM 2439/4885MGLL 10/4885EGLN1 2399/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.